N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H27N3O3/c30-26(21-6-11-24-25(18-21)32-17-16-31-24)27-22-7-9-23(10-8-22)29-14-12-28(13-15-29)19-20-4-2-1-3-5-20/h1-11,18H,12-17,19H2,(H,27,30)